1,2-Propanedione,1-(2-furanyl)- supplier

Name
1-(2-furyl)propane-1,2-dione
EINECS 215-875-6
CAS No. 1438-92-2
Article Data4
CAS DataBase
Density 1.176 g/cm³
Solubility
Melting Point
Formula C₇H₆O₃
Boiling Point 198.8 °C at 760 mmHg
Molecular Weight 138.123
Flash Point 81.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Propanedione,1-(2-furyl)- (7CI,8CI);1-(2-Furanyl)-1,2-propanedione;1-(2-Furyl)-1,2-propanedione;1-(2'-Furyl)propane-1,2-dione;1-(Furan-2-yl)propane-1,2-dione;
PSA 47.28000
LogP 1.05130

1,2-Propanedione,1-(2-furanyl)- Specification

The 1,2-Propanedione,1-(2-furanyl)-, with the CAS registry number 1438-92-2, is also known as 1-(2-Furyl)propane-1,2-dione. Its EINECS number is 215-875-6. This chemical's molecular formula is C₇H₆O₃ and molecular weight is 138.12. What's more, its systematic name is 1-(Furan-2-yl)propane-1,2-dione.

Physical properties of 1,2-Propanedione,1-(2-furanyl)- are: (1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.02; (4)ACD/LogD (pH 7.4): -0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.19; (8)ACD/KOC (pH 7.4): 23.19; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 47.28 Å²; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 33.24 cm³; (15)Molar Volume: 117.3 cm³; (16)Polarizability: 13.17×10^-24cm³; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.176 g/cm³; (19)Flash Point: 81.1 °C; (20)Enthalpy of Vaporization: 43.5 kJ/mol; (21)Boiling Point: 198.8 °C at 760 mmHg; (22)Vapour Pressure: 0.354 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(=O)c1occc1)C
(2)InChI: InChI=1S/C7H6O3/c1-5(8)7(9)6-3-2-4-10-6/h2-4H,1H3
(3)InChIKey: JXZJRYDTSDCGLO-UHFFFAOYSA-N

Product Name

1-(2-furyl)propane-1,2-dione

1,2-Propanedione,1-(2-furanyl)- Specification

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